Non-bonded interactions involving oxygen in 2-nitrobenzenethiolato compounds:: Structures of 2,4-(O2N)2C6H3SX (X = NMe2 or C6H4NO2-2) and Ph3MSC6H4NO2-2 (M = Ge, Sn or Pb)

Crystal structures are reported for 2,4-(O2N)(2)C6H3X (2: X = NMe2; 3: X = C6H4NO2-2) and Ph3MSC6H4NO2-2 (4: M=Ge; 5; M=Sn; 6: M=Pb). Compound 2 is triclinic, Pbar1, a = 7.931(5), b = 8.159(7), c = 9.090(7) Angstrom, a = 100.35(6), beta = 81.00(6), gamma = 110.74(6)degrees, D-x = 1.500 Mg.m(-3), Z = 2, observed reflections = 834, R = 0.066 (Rw = 0.049). Compound 3 is orthorhombic, P2(1)2(1)2(1), a = 11.1424(18), b = 11.8067(18), c = 20.363(3) Angstrom, D-x = 1.593 Mg.m(-3) Z = 8, observed reflections = 925, R = 0.061 (Rw = 0.074). Compound 4 is monoclinic, P2(1)/a, a = 14.73(4), b = 10.091(5), c = 15.526(4) Angstrom, beta = 107.43(7), D-x = 1.382 Mg.m(-3), Z = 4, observed reflections = 2034, R1 = 0.0426 (wR2 = 0.0834). Compound 5 is orthorhombic, Pbca, a = 15.489(10), b = 15.701(5), c = 17.558(7) Angstrom, D-x = 1.569 Mg.m(-3), Z = 8, observed reflections = 2537, R1 = 0.0327 (wR2 = 0.0700). Compound 6 is orthorhombic, Pbca, a = 15.569(5), b = 15.702(3), c = 17.651(6) Angstrom, D-x = 1.825 Mg.m(-3), Z = 8, observed reflections = 2536, R1 = 0.0323 (wR2 = 0.0737). There are short non-bonded S-O interactions and near linear O-S-X angles in both 2 and 3; values are 2.166(6) Angstrom and 177.1(3)degrees for 2; 2.582(14) Angstrom and 177.1(8)degrees, and 2.609(13) Angstrom and 177.9(6) (in two independent molecules) for 3. The S-O interaction in 3 involves the ortho nitro group of the dinitrophenyl ring. Intramolecular S-O interactions are absent in 4-6; however there are weak intermolecular M-O bonding in 5 and 6, which results in molecules being linked into chains; the geometries at the metal centres in 5 and 6 are distorted trigonal bipyramidal with Sn-O and Pb-O bond lengths of 3.337(3) and 3.180(5) Angstrom, respectively, and S-axial-M--O-axial angles of 173.19(5) and 173.96(9)degrees, respectively. Compound 4 is essentially tetrahedral.